Proceedings of the 4th International Conference on Mechatronics, Materials, Chemistry and Computer Engineering 2015

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Supramolecular assembly by co-crystallization of fumaric acid with 1H-benzotriazole: crystal structure and synthon cooperation

Authors
Changfeng Sun, Yanyan Pang, Ruixin Chen
Corresponding Author
Changfeng Sun
Available Online December 2015.
DOI
10.2991/icmmcce-15.2015.167How to use a DOI?
Keywords
Structure characterization; Hydrogen bond; Synthon; Co-crystal
Abstract

Hydrogen-bonded directed assemblies of one binary co-crystal was validated by single-crystal X-ray diffraction analysis. The supramolecular reaction between symmetric fumaric acid and 1H-benzotriazole produced molecular co-crystal formulated as [(C6H5N3)•(C4H4O4)0.5] in high yields. Compound contains fumaric acid/1H-benzotriazole in 3:2 ratios and displays a 3D (three-dimensional) H-bonded supramolecular structure. The predominant driving force in co-crystal is hydrogen bonds, by which the compound assemble into supramolecular organic framework. With the presence of the reliable hydrogen-bonding donor/acceptor(s) of fumaric acid, the crystalline lattice of co-crystal is managed by O–H•••N and N–H•••O to afford one-dimensional (1D) acid-base hydrogen-bonding tapes extending along the b axis direction, which are further extended to distinct 3D arrays via primary synthons (the corresponding N–H•••N and C–H•••O interactions). This structural study shows that fumaric acid is a supramolecular reagent that can produce well-defined supermolecule in very high yield.

Copyright
© 2015, the Authors. Published by Atlantis Press.
Open Access
This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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Volume Title
Proceedings of the 4th International Conference on Mechatronics, Materials, Chemistry and Computer Engineering 2015
Series
Advances in Computer Science Research
Publication Date
December 2015
ISBN
10.2991/icmmcce-15.2015.167
ISSN
2352-538X
DOI
10.2991/icmmcce-15.2015.167How to use a DOI?
Copyright
© 2015, the Authors. Published by Atlantis Press.
Open Access
This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

Cite this article

risenwbib
TY  - CONF
AU  - Changfeng Sun
AU  - Yanyan Pang
AU  - Ruixin Chen
PY  - 2015/12
DA  - 2015/12
TI  - Supramolecular assembly by co-crystallization of fumaric acid with 1H-benzotriazole: crystal structure and synthon cooperation
BT  - Proceedings of the 4th International Conference on Mechatronics, Materials, Chemistry and Computer Engineering 2015
PB  - Atlantis Press
SP  - 837
EP  - 842
SN  - 2352-538X
UR  - https://doi.org/10.2991/icmmcce-15.2015.167
DO  - 10.2991/icmmcce-15.2015.167
ID  - Sun2015/12
ER  -